6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

C10H8IN5 — CID 135407454

IUPAC6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(cc(I)c3nccc32)[nH]1
InChIInChI=1S/C10H8IN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16)
InChIKeyAMZLCOAUGBRLSE-UHFFFAOYSA-N
MW325.11 g/mol
LogP1.88
Rot. Bonds

About 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 135407454) has the molecular formula C10H8IN5 and a molecular weight of 325.11 g/mol. Its IUPAC name is 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID135407454
Molecular FormulaC10H8IN5
Molecular Weight325.11 g/mol
Exact Mass324.98
IUPAC Name6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(cc(I)c3nccc32)[nH]1
InChIInChI=1S/C10H8IN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16)
InChIKeyAMZLCOAUGBRLSE-UHFFFAOYSA-N
XLogP1.88
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 135407454) is 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(cc(I)c3nccc32)[nH]1.
What is the InChIKey of 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is AMZLCOAUGBRLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16).
What are the key properties of 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 325.11 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 135407454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).